USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 LYS NZ :NH3+ -112:sc= -0.222 (180deg=-0.274) USER MOD Set 1.2: A 89 HIS : no HE2:sc= -1.4 K(o=-2.7,f=-6.7!) USER MOD Set 1.3: A 93 SER OG : rot 70:sc= -1.07 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc= -0.0766 X(o=-0.077,f=0) USER MOD Single : A 17 MET CE :methyl 154:sc= 0 (180deg=-0.949) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc=-0.000714 X(o=-0.00071,f=0) USER MOD Single : A 22 SER OG : rot -56:sc= 1.23 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.57) USER MOD Single : A 28 GLN : amide:sc= -0.961 X(o=-0.96,f=-1) USER MOD Single : A 31 SER OG : rot 180:sc= -1.29 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 147:sc= -0.426 (180deg=-1.77!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -1.8 K(o=-1.8,f=-2.4) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0.00151 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.375 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 60 SER OG : rot -170:sc= -0.0105 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -172:sc= 0.0673 USER MOD Single : A 74 HIS : no HE2:sc= -0.154! C(o=-0.15!,f=-4.8!) USER MOD Single : A 76 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.34) USER MOD Single : A 79 HIS : no HE2:sc= -3.55 X(o=-3.6,f=-3.1) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 ASN :FLIP amide:sc= 1.05 F(o=-0.6,f=1.1) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N ASP A 10 -6.005 17.625 -3.691 1.00 0.00 N ATOM 90 CA ASP A 10 -5.948 16.720 -4.833 1.00 0.00 C ATOM 91 C ASP A 10 -5.613 15.300 -4.387 1.00 0.00 C ATOM 92 O ASP A 10 -4.552 14.771 -4.713 1.00 0.00 O ATOM 93 CB ASP A 10 -4.911 17.208 -5.846 1.00 0.00 C ATOM 94 CG ASP A 10 -3.775 17.969 -5.191 1.00 0.00 C ATOM 95 OD1 ASP A 10 -3.447 17.659 -4.026 1.00 0.00 O ATOM 96 OD2 ASP A 10 -3.215 18.874 -5.843 1.00 0.00 O ATOM 0 HA ASP A 10 -6.930 16.710 -5.306 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.507 16.353 -6.388 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.398 17.850 -6.580 1.00 0.00 H new ATOM 101 N ALA A 11 -6.526 14.691 -3.637 1.00 0.00 N ATOM 102 CA ALA A 11 -6.328 13.333 -3.146 1.00 0.00 C ATOM 103 C ALA A 11 -6.895 12.308 -4.122 1.00 0.00 C ATOM 104 O ALA A 11 -6.320 11.237 -4.317 1.00 0.00 O ATOM 105 CB ALA A 11 -6.966 13.168 -1.775 1.00 0.00 C ATOM 0 H ALA A 11 -7.409 15.117 -3.356 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.256 13.158 -3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.810 12.149 -1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.511 13.869 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.035 13.368 -1.845 1.00 0.00 H new ATOM 111 N ARG A 12 -8.027 12.643 -4.733 1.00 0.00 N ATOM 112 CA ARG A 12 -8.673 11.750 -5.688 1.00 0.00 C ATOM 113 C ARG A 12 -7.842 11.622 -6.961 1.00 0.00 C ATOM 114 O ARG A 12 -7.900 10.605 -7.652 1.00 0.00 O ATOM 115 CB ARG A 12 -10.074 12.262 -6.030 1.00 0.00 C ATOM 116 CG ARG A 12 -11.057 12.164 -4.875 1.00 0.00 C ATOM 117 CD ARG A 12 -12.479 11.955 -5.370 1.00 0.00 C ATOM 118 NE ARG A 12 -13.412 11.719 -4.271 1.00 0.00 N ATOM 119 CZ ARG A 12 -13.764 12.651 -3.392 1.00 0.00 C ATOM 120 NH1 ARG A 12 -13.262 13.875 -3.483 1.00 0.00 N ATOM 121 NH2 ARG A 12 -14.618 12.359 -2.420 1.00 0.00 N ATOM 0 H ARG A 12 -8.516 13.526 -4.584 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.755 10.765 -5.228 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.004 13.302 -6.349 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.463 11.695 -6.876 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.773 11.338 -4.223 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.009 13.074 -4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.799 12.831 -5.935 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.504 11.107 -6.055 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.815 10.787 -4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.604 14.102 -4.229 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.534 14.589 -2.807 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.005 11.418 -2.347 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.888 13.075 -1.746 1.00 0.00 H new ATOM 135 N ARG A 13 -7.070 12.661 -7.264 1.00 0.00 N ATOM 136 CA ARG A 13 -6.229 12.665 -8.455 1.00 0.00 C ATOM 137 C ARG A 13 -5.222 11.519 -8.414 1.00 0.00 C ATOM 138 O ARG A 13 -4.942 10.887 -9.433 1.00 0.00 O ATOM 139 CB ARG A 13 -5.492 14.000 -8.580 1.00 0.00 C ATOM 140 CG ARG A 13 -6.271 15.055 -9.349 1.00 0.00 C ATOM 141 CD ARG A 13 -7.188 15.849 -8.431 1.00 0.00 C ATOM 142 NE ARG A 13 -8.263 16.508 -9.169 1.00 0.00 N ATOM 143 CZ ARG A 13 -9.345 15.876 -9.611 1.00 0.00 C ATOM 144 NH1 ARG A 13 -9.494 14.577 -9.391 1.00 0.00 N ATOM 145 NH2 ARG A 13 -10.280 16.544 -10.274 1.00 0.00 N ATOM 0 H ARG A 13 -7.010 13.510 -6.702 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.873 12.529 -9.324 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.271 14.379 -7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.536 13.833 -9.076 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.576 15.732 -9.846 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.862 14.576 -10.130 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.617 15.183 -7.683 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.605 16.597 -7.895 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.178 17.507 -9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.777 14.061 -8.881 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.326 14.094 -9.731 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.169 17.543 -10.445 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.110 16.058 -10.613 1.00 0.00 H new ATOM 159 N LEU A 14 -4.681 11.256 -7.229 1.00 0.00 N ATOM 160 CA LEU A 14 -3.705 10.186 -7.054 1.00 0.00 C ATOM 161 C LEU A 14 -4.220 8.878 -7.646 1.00 0.00 C ATOM 162 O LEU A 14 -5.415 8.588 -7.596 1.00 0.00 O ATOM 163 CB LEU A 14 -3.387 9.997 -5.570 1.00 0.00 C ATOM 164 CG LEU A 14 -2.288 10.895 -5.000 1.00 0.00 C ATOM 165 CD1 LEU A 14 -2.796 12.319 -4.832 1.00 0.00 C ATOM 166 CD2 LEU A 14 -1.786 10.346 -3.672 1.00 0.00 C ATOM 0 H LEU A 14 -4.902 11.769 -6.375 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.794 10.468 -7.581 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.300 10.166 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.099 8.958 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.455 10.909 -5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.001 12.943 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.106 12.711 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.646 12.324 -4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.004 10.998 -3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.611 10.302 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.382 9.345 -3.822 1.00 0.00 H new ATOM 178 N THR A 15 -3.308 8.089 -8.206 1.00 0.00 N ATOM 179 CA THR A 15 -3.668 6.810 -8.806 1.00 0.00 C ATOM 180 C THR A 15 -2.842 5.673 -8.216 1.00 0.00 C ATOM 181 O THR A 15 -1.636 5.810 -8.013 1.00 0.00 O ATOM 182 CB THR A 15 -3.473 6.833 -10.334 1.00 0.00 C ATOM 183 OG1 THR A 15 -4.177 7.943 -10.902 1.00 0.00 O ATOM 184 CG2 THR A 15 -3.967 5.538 -10.961 1.00 0.00 C ATOM 0 H THR A 15 -2.314 8.313 -8.256 1.00 0.00 H new ATOM 0 HA THR A 15 -4.722 6.642 -8.584 1.00 0.00 H new ATOM 0 HB THR A 15 -2.408 6.936 -10.541 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.046 7.951 -11.873 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.819 5.577 -12.040 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.409 4.698 -10.548 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.028 5.410 -10.744 1.00 0.00 H new ATOM 192 N VAL A 16 -3.499 4.550 -7.944 1.00 0.00 N ATOM 193 CA VAL A 16 -2.824 3.388 -7.378 1.00 0.00 C ATOM 194 C VAL A 16 -2.395 2.416 -8.472 1.00 0.00 C ATOM 195 O VAL A 16 -3.225 1.911 -9.228 1.00 0.00 O ATOM 196 CB VAL A 16 -3.728 2.648 -6.374 1.00 0.00 C ATOM 197 CG1 VAL A 16 -2.982 1.483 -5.742 1.00 0.00 C ATOM 198 CG2 VAL A 16 -4.237 3.607 -5.309 1.00 0.00 C ATOM 0 H VAL A 16 -4.498 4.420 -8.106 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.941 3.757 -6.856 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.588 2.248 -6.911 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.636 0.972 -5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.672 0.785 -6.519 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.102 1.856 -5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.874 3.068 -4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.391 4.038 -4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.811 4.404 -5.782 1.00 0.00 H new ATOM 208 N MET A 17 -1.094 2.157 -8.549 1.00 0.00 N ATOM 209 CA MET A 17 -0.555 1.244 -9.549 1.00 0.00 C ATOM 210 C MET A 17 0.069 0.020 -8.887 1.00 0.00 C ATOM 211 O MET A 17 0.230 -0.024 -7.667 1.00 0.00 O ATOM 212 CB MET A 17 0.486 1.957 -10.414 1.00 0.00 C ATOM 213 CG MET A 17 -0.113 2.970 -11.375 1.00 0.00 C ATOM 214 SD MET A 17 1.019 3.422 -12.704 1.00 0.00 S ATOM 215 CE MET A 17 -0.059 4.396 -13.751 1.00 0.00 C ATOM 0 H MET A 17 -0.394 2.567 -7.931 1.00 0.00 H new ATOM 0 HA MET A 17 -1.377 0.913 -10.183 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.201 2.463 -9.765 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.044 1.214 -10.984 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.027 2.560 -11.805 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.395 3.866 -10.823 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.536 5.105 -14.327 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.598 3.737 -14.432 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.773 4.940 -13.132 1.00 0.00 H new ATOM 225 N SER A 18 0.420 -0.973 -9.699 1.00 0.00 N ATOM 226 CA SER A 18 1.022 -2.200 -9.191 1.00 0.00 C ATOM 227 C SER A 18 0.367 -2.625 -7.880 1.00 0.00 C ATOM 228 O SER A 18 1.048 -2.881 -6.886 1.00 0.00 O ATOM 229 CB SER A 18 2.526 -2.006 -8.983 1.00 0.00 C ATOM 230 OG SER A 18 3.206 -3.249 -8.987 1.00 0.00 O ATOM 0 H SER A 18 0.298 -0.951 -10.711 1.00 0.00 H new ATOM 0 HA SER A 18 0.862 -2.987 -9.928 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.926 -1.367 -9.770 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.702 -1.494 -8.037 1.00 0.00 H new ATOM 0 HG SER A 18 4.165 -3.098 -8.854 1.00 0.00 H new ATOM 236 N LEU A 19 -0.959 -2.698 -7.886 1.00 0.00 N ATOM 237 CA LEU A 19 -1.709 -3.093 -6.699 1.00 0.00 C ATOM 238 C LEU A 19 -2.342 -4.468 -6.886 1.00 0.00 C ATOM 239 O LEU A 19 -3.180 -4.660 -7.767 1.00 0.00 O ATOM 240 CB LEU A 19 -2.792 -2.058 -6.389 1.00 0.00 C ATOM 241 CG LEU A 19 -3.459 -2.175 -5.018 1.00 0.00 C ATOM 242 CD1 LEU A 19 -2.704 -1.354 -3.985 1.00 0.00 C ATOM 243 CD2 LEU A 19 -4.914 -1.733 -5.093 1.00 0.00 C ATOM 0 H LEU A 19 -1.537 -2.489 -8.700 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.014 -3.145 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.352 -1.064 -6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.565 -2.130 -7.154 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.433 -3.221 -4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.193 -1.450 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.679 -1.716 -3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.698 -0.307 -4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.373 -1.823 -4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.962 -0.695 -5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.450 -2.364 -5.802 1.00 0.00 H new ATOM 255 N GLN A 20 -1.937 -5.419 -6.051 1.00 0.00 N ATOM 256 CA GLN A 20 -2.466 -6.775 -6.124 1.00 0.00 C ATOM 257 C GLN A 20 -3.850 -6.855 -5.487 1.00 0.00 C ATOM 258 O GLN A 20 -4.192 -6.050 -4.622 1.00 0.00 O ATOM 259 CB GLN A 20 -1.516 -7.754 -5.432 1.00 0.00 C ATOM 260 CG GLN A 20 -1.596 -9.170 -5.981 1.00 0.00 C ATOM 261 CD GLN A 20 -0.686 -9.385 -7.174 1.00 0.00 C ATOM 262 OE1 GLN A 20 -1.098 -9.215 -8.322 1.00 0.00 O ATOM 263 NE2 GLN A 20 0.559 -9.762 -6.909 1.00 0.00 N ATOM 0 H GLN A 20 -1.244 -5.275 -5.316 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.554 -7.047 -7.176 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.494 -7.390 -5.536 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.741 -7.773 -4.366 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.331 -9.876 -5.194 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.625 -9.386 -6.270 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.858 -9.891 -5.942 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.217 -9.923 -7.672 1.00 0.00 H new ATOM 272 N GLU A 21 -4.641 -7.831 -5.922 1.00 0.00 N ATOM 273 CA GLU A 21 -5.988 -8.014 -5.394 1.00 0.00 C ATOM 274 C GLU A 21 -6.156 -9.413 -4.807 1.00 0.00 C ATOM 275 O GLU A 21 -6.331 -9.574 -3.599 1.00 0.00 O ATOM 276 CB GLU A 21 -7.026 -7.782 -6.493 1.00 0.00 C ATOM 277 CG GLU A 21 -7.143 -6.329 -6.923 1.00 0.00 C ATOM 278 CD GLU A 21 -7.658 -5.432 -5.814 1.00 0.00 C ATOM 279 OE1 GLU A 21 -8.819 -5.618 -5.393 1.00 0.00 O ATOM 280 OE2 GLU A 21 -6.901 -4.545 -5.368 1.00 0.00 O ATOM 0 H GLU A 21 -4.373 -8.506 -6.638 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.142 -7.284 -4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.766 -8.389 -7.360 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.998 -8.128 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.167 -5.971 -7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.812 -6.261 -7.781 1.00 0.00 H new ATOM 287 N SER A 22 -6.104 -10.421 -5.671 1.00 0.00 N ATOM 288 CA SER A 22 -6.255 -11.806 -5.240 1.00 0.00 C ATOM 289 C SER A 22 -5.004 -12.616 -5.565 1.00 0.00 C ATOM 290 O SER A 22 -5.080 -13.813 -5.840 1.00 0.00 O ATOM 291 CB SER A 22 -7.476 -12.440 -5.910 1.00 0.00 C ATOM 292 OG SER A 22 -7.597 -13.808 -5.558 1.00 0.00 O ATOM 0 H SER A 22 -5.958 -10.305 -6.674 1.00 0.00 H new ATOM 0 HA SER A 22 -6.399 -11.811 -4.160 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.377 -11.904 -5.613 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.391 -12.346 -6.993 1.00 0.00 H new ATOM 0 HG SER A 22 -6.768 -14.279 -5.784 1.00 0.00 H new ATOM 298 N GLY A 23 -3.852 -11.953 -5.532 1.00 0.00 N ATOM 299 CA GLY A 23 -2.600 -12.626 -5.825 1.00 0.00 C ATOM 300 C GLY A 23 -1.498 -12.249 -4.854 1.00 0.00 C ATOM 301 O GLY A 23 -0.359 -12.014 -5.258 1.00 0.00 O ATOM 0 H GLY A 23 -3.763 -10.962 -5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.755 -13.705 -5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.287 -12.379 -6.839 1.00 0.00 H new ATOM 305 N LEU A 24 -1.837 -12.191 -3.571 1.00 0.00 N ATOM 306 CA LEU A 24 -0.868 -11.838 -2.539 1.00 0.00 C ATOM 307 C LEU A 24 -0.235 -13.088 -1.938 1.00 0.00 C ATOM 308 O LEU A 24 -0.784 -14.186 -2.037 1.00 0.00 O ATOM 309 CB LEU A 24 -1.541 -11.014 -1.440 1.00 0.00 C ATOM 310 CG LEU A 24 -1.889 -9.570 -1.801 1.00 0.00 C ATOM 311 CD1 LEU A 24 -2.504 -8.854 -0.609 1.00 0.00 C ATOM 312 CD2 LEU A 24 -0.652 -8.830 -2.290 1.00 0.00 C ATOM 0 H LEU A 24 -2.775 -12.384 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.082 -11.241 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.457 -11.523 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.885 -11.002 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.622 -9.584 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.745 -7.828 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.414 -9.371 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.795 -8.850 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.918 -7.804 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.104 -8.826 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.255 -9.330 -3.173 1.00 0.00 H new ATOM 324 N LYS A 25 0.924 -12.915 -1.311 1.00 0.00 N ATOM 325 CA LYS A 25 1.633 -14.028 -0.690 1.00 0.00 C ATOM 326 C LYS A 25 1.920 -13.737 0.780 1.00 0.00 C ATOM 327 O LYS A 25 2.554 -12.735 1.112 1.00 0.00 O ATOM 328 CB LYS A 25 2.942 -14.303 -1.431 1.00 0.00 C ATOM 329 CG LYS A 25 2.761 -15.108 -2.707 1.00 0.00 C ATOM 330 CD LYS A 25 4.018 -15.090 -3.561 1.00 0.00 C ATOM 331 CE LYS A 25 3.918 -16.069 -4.721 1.00 0.00 C ATOM 332 NZ LYS A 25 5.258 -16.431 -5.258 1.00 0.00 N ATOM 0 H LYS A 25 1.393 -12.014 -1.219 1.00 0.00 H new ATOM 0 HA LYS A 25 0.997 -14.911 -0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.418 -13.353 -1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.620 -14.838 -0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.506 -16.137 -2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.926 -14.703 -3.279 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.183 -14.084 -3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.881 -15.341 -2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.403 -16.971 -4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.315 -15.630 -5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.147 -17.100 -6.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.740 -15.574 -5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.825 -16.873 -4.507 1.00 0.00 H new ATOM 346 N VAL A 26 1.450 -14.619 1.656 1.00 0.00 N ATOM 347 CA VAL A 26 1.659 -14.458 3.090 1.00 0.00 C ATOM 348 C VAL A 26 3.115 -14.707 3.465 1.00 0.00 C ATOM 349 O VAL A 26 3.785 -15.547 2.866 1.00 0.00 O ATOM 350 CB VAL A 26 0.761 -15.413 3.899 1.00 0.00 C ATOM 351 CG1 VAL A 26 -0.707 -15.135 3.615 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.108 -16.861 3.587 1.00 0.00 C ATOM 0 H VAL A 26 0.922 -15.453 1.398 1.00 0.00 H new ATOM 0 HA VAL A 26 1.395 -13.429 3.334 1.00 0.00 H new ATOM 0 HB VAL A 26 0.939 -15.240 4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.326 -15.819 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.943 -14.108 3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.906 -15.278 2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.464 -17.522 4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.959 -17.050 2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.150 -17.050 3.846 1.00 0.00 H new ATOM 362 N ASN A 27 3.599 -13.971 4.460 1.00 0.00 N ATOM 363 CA ASN A 27 4.977 -14.113 4.915 1.00 0.00 C ATOM 364 C ASN A 27 5.956 -13.672 3.831 1.00 0.00 C ATOM 365 O ASN A 27 7.076 -14.177 3.751 1.00 0.00 O ATOM 366 CB ASN A 27 5.258 -15.563 5.314 1.00 0.00 C ATOM 367 CG ASN A 27 4.146 -16.157 6.156 1.00 0.00 C ATOM 368 OD1 ASN A 27 3.475 -15.449 6.907 1.00 0.00 O ATOM 369 ND2 ASN A 27 3.945 -17.464 6.034 1.00 0.00 N ATOM 0 H ASN A 27 3.058 -13.270 4.966 1.00 0.00 H new ATOM 0 HA ASN A 27 5.114 -13.471 5.786 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.390 -16.165 4.415 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.195 -15.609 5.869 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.210 -17.920 6.575 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.525 -18.012 5.399 1.00 0.00 H new ATOM 376 N GLN A 28 5.525 -12.729 3.000 1.00 0.00 N ATOM 377 CA GLN A 28 6.363 -12.222 1.920 1.00 0.00 C ATOM 378 C GLN A 28 6.199 -10.713 1.767 1.00 0.00 C ATOM 379 O GLN A 28 5.104 -10.167 1.897 1.00 0.00 O ATOM 380 CB GLN A 28 6.017 -12.921 0.605 1.00 0.00 C ATOM 381 CG GLN A 28 6.824 -14.185 0.356 1.00 0.00 C ATOM 382 CD GLN A 28 8.251 -13.893 -0.063 1.00 0.00 C ATOM 383 OE1 GLN A 28 8.494 -13.321 -1.126 1.00 0.00 O ATOM 384 NE2 GLN A 28 9.206 -14.285 0.773 1.00 0.00 N ATOM 0 H GLN A 28 4.601 -12.301 3.054 1.00 0.00 H new ATOM 0 HA GLN A 28 7.402 -12.433 2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.956 -13.171 0.605 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.181 -12.227 -0.220 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.832 -14.791 1.262 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.336 -14.777 -0.418 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.960 -14.756 1.644 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.185 -14.115 0.544 1.00 0.00 H new ATOM 393 N PRO A 29 7.314 -10.022 1.483 1.00 0.00 N ATOM 394 CA PRO A 29 7.319 -8.567 1.306 1.00 0.00 C ATOM 395 C PRO A 29 6.609 -8.137 0.027 1.00 0.00 C ATOM 396 O PRO A 29 7.038 -8.474 -1.076 1.00 0.00 O ATOM 397 CB PRO A 29 8.809 -8.224 1.231 1.00 0.00 C ATOM 398 CG PRO A 29 9.461 -9.473 0.747 1.00 0.00 C ATOM 399 CD PRO A 29 8.654 -10.608 1.313 1.00 0.00 C ATOM 0 HA PRO A 29 6.790 -8.057 2.111 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.990 -7.393 0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.197 -7.927 2.206 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.475 -9.509 -0.342 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.497 -9.527 1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.636 -11.464 0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.063 -10.958 2.261 1.00 0.00 H new ATOM 407 N ALA A 30 5.520 -7.390 0.182 1.00 0.00 N ATOM 408 CA ALA A 30 4.752 -6.911 -0.960 1.00 0.00 C ATOM 409 C ALA A 30 4.607 -5.394 -0.927 1.00 0.00 C ATOM 410 O ALA A 30 4.046 -4.835 0.015 1.00 0.00 O ATOM 411 CB ALA A 30 3.383 -7.575 -0.991 1.00 0.00 C ATOM 0 H ALA A 30 5.150 -7.104 1.088 1.00 0.00 H new ATOM 0 HA ALA A 30 5.293 -7.177 -1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.820 -7.208 -1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.504 -8.655 -1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.843 -7.338 -0.074 1.00 0.00 H new ATOM 417 N SER A 31 5.116 -4.732 -1.962 1.00 0.00 N ATOM 418 CA SER A 31 5.046 -3.279 -2.048 1.00 0.00 C ATOM 419 C SER A 31 4.303 -2.844 -3.308 1.00 0.00 C ATOM 420 O SER A 31 4.161 -3.617 -4.257 1.00 0.00 O ATOM 421 CB SER A 31 6.453 -2.678 -2.040 1.00 0.00 C ATOM 422 OG SER A 31 6.405 -1.265 -2.134 1.00 0.00 O ATOM 0 H SER A 31 5.581 -5.179 -2.752 1.00 0.00 H new ATOM 0 HA SER A 31 4.498 -2.915 -1.179 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.970 -2.967 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.029 -3.082 -2.873 1.00 0.00 H new ATOM 0 HG SER A 31 7.317 -0.905 -2.125 1.00 0.00 H new ATOM 428 N PHE A 32 3.831 -1.602 -3.311 1.00 0.00 N ATOM 429 CA PHE A 32 3.101 -1.064 -4.453 1.00 0.00 C ATOM 430 C PHE A 32 3.551 0.361 -4.763 1.00 0.00 C ATOM 431 O PHE A 32 4.244 0.992 -3.966 1.00 0.00 O ATOM 432 CB PHE A 32 1.596 -1.087 -4.180 1.00 0.00 C ATOM 433 CG PHE A 32 1.192 -0.287 -2.975 1.00 0.00 C ATOM 434 CD1 PHE A 32 1.203 -0.859 -1.712 1.00 0.00 C ATOM 435 CD2 PHE A 32 0.803 1.036 -3.103 1.00 0.00 C ATOM 436 CE1 PHE A 32 0.832 -0.125 -0.602 1.00 0.00 C ATOM 437 CE2 PHE A 32 0.431 1.775 -1.996 1.00 0.00 C ATOM 438 CZ PHE A 32 0.447 1.194 -0.743 1.00 0.00 C ATOM 0 H PHE A 32 3.941 -0.949 -2.535 1.00 0.00 H new ATOM 0 HA PHE A 32 3.316 -1.691 -5.318 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.071 -0.702 -5.054 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.275 -2.120 -4.044 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.505 -1.889 -1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.790 1.496 -4.080 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.843 -0.583 0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.128 2.805 -2.110 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.159 1.770 0.124 1.00 0.00 H new ATOM 448 N ALA A 33 3.152 0.860 -5.928 1.00 0.00 N ATOM 449 CA ALA A 33 3.513 2.210 -6.345 1.00 0.00 C ATOM 450 C ALA A 33 2.309 3.143 -6.283 1.00 0.00 C ATOM 451 O ALA A 33 1.166 2.708 -6.426 1.00 0.00 O ATOM 452 CB ALA A 33 4.096 2.190 -7.750 1.00 0.00 C ATOM 0 H ALA A 33 2.579 0.350 -6.600 1.00 0.00 H new ATOM 0 HA ALA A 33 4.268 2.587 -5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.361 3.204 -8.048 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.987 1.563 -7.765 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.358 1.789 -8.444 1.00 0.00 H new ATOM 458 N ILE A 34 2.572 4.428 -6.068 1.00 0.00 N ATOM 459 CA ILE A 34 1.510 5.422 -5.988 1.00 0.00 C ATOM 460 C ILE A 34 1.786 6.599 -6.917 1.00 0.00 C ATOM 461 O ILE A 34 2.540 7.510 -6.574 1.00 0.00 O ATOM 462 CB ILE A 34 1.337 5.947 -4.551 1.00 0.00 C ATOM 463 CG1 ILE A 34 1.064 4.788 -3.590 1.00 0.00 C ATOM 464 CG2 ILE A 34 0.211 6.968 -4.491 1.00 0.00 C ATOM 465 CD1 ILE A 34 1.073 5.195 -2.133 1.00 0.00 C ATOM 0 H ILE A 34 3.512 4.805 -5.946 1.00 0.00 H new ATOM 0 HA ILE A 34 0.591 4.926 -6.298 1.00 0.00 H new ATOM 0 HB ILE A 34 2.262 6.437 -4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.096 4.348 -3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.814 4.013 -3.747 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.102 7.329 -3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.444 7.805 -5.149 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.720 6.502 -4.813 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.872 4.323 -1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.049 5.607 -1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.304 5.948 -1.961 1.00 0.00 H new ATOM 477 N ARG A 35 1.171 6.574 -8.095 1.00 0.00 N ATOM 478 CA ARG A 35 1.350 7.639 -9.074 1.00 0.00 C ATOM 479 C ARG A 35 0.771 8.953 -8.560 1.00 0.00 C ATOM 480 O ARG A 35 -0.288 8.974 -7.931 1.00 0.00 O ATOM 481 CB ARG A 35 0.686 7.260 -10.399 1.00 0.00 C ATOM 482 CG ARG A 35 0.208 8.457 -11.205 1.00 0.00 C ATOM 483 CD ARG A 35 0.218 8.164 -12.697 1.00 0.00 C ATOM 484 NE ARG A 35 1.575 8.095 -13.232 1.00 0.00 N ATOM 485 CZ ARG A 35 1.849 7.869 -14.512 1.00 0.00 C ATOM 486 NH1 ARG A 35 0.866 7.692 -15.383 1.00 0.00 N ATOM 487 NH2 ARG A 35 3.110 7.821 -14.923 1.00 0.00 N ATOM 0 H ARG A 35 0.544 5.827 -8.394 1.00 0.00 H new ATOM 0 HA ARG A 35 2.419 7.772 -9.237 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.393 6.687 -10.999 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.163 6.607 -10.197 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.801 8.728 -10.893 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.847 9.315 -10.997 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.294 7.220 -12.885 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.340 8.939 -13.222 1.00 0.00 H new ATOM 0 HE ARG A 35 2.355 8.228 -12.588 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.104 7.729 -15.071 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.080 7.519 -16.365 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.869 7.958 -14.256 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.320 7.647 -15.906 1.00 0.00 H new ATOM 501 N LEU A 36 1.472 10.049 -8.830 1.00 0.00 N ATOM 502 CA LEU A 36 1.029 11.368 -8.394 1.00 0.00 C ATOM 503 C LEU A 36 0.860 12.307 -9.585 1.00 0.00 C ATOM 504 O LEU A 36 1.811 12.570 -10.320 1.00 0.00 O ATOM 505 CB LEU A 36 2.028 11.962 -7.400 1.00 0.00 C ATOM 506 CG LEU A 36 2.527 11.018 -6.305 1.00 0.00 C ATOM 507 CD1 LEU A 36 3.722 11.622 -5.584 1.00 0.00 C ATOM 508 CD2 LEU A 36 1.409 10.707 -5.321 1.00 0.00 C ATOM 0 H LEU A 36 2.350 10.050 -9.349 1.00 0.00 H new ATOM 0 HA LEU A 36 0.062 11.255 -7.903 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.890 12.328 -7.957 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.566 12.827 -6.924 1.00 0.00 H new ATOM 0 HG LEU A 36 2.844 10.085 -6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.064 10.937 -4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.528 11.794 -6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.432 12.569 -5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.781 10.034 -4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.062 11.632 -4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.582 10.232 -5.848 1.00 0.00 H new ATOM 520 N ASN A 37 -0.357 12.809 -9.768 1.00 0.00 N ATOM 521 CA ASN A 37 -0.650 13.720 -10.869 1.00 0.00 C ATOM 522 C ASN A 37 -0.287 15.155 -10.499 1.00 0.00 C ATOM 523 O ASN A 37 -0.826 16.107 -11.061 1.00 0.00 O ATOM 524 CB ASN A 37 -2.131 13.638 -11.246 1.00 0.00 C ATOM 525 CG ASN A 37 -2.487 12.318 -11.903 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.665 12.246 -13.119 1.00 0.00 O ATOM 527 ND2 ASN A 37 -2.594 11.267 -11.099 1.00 0.00 N ATOM 0 H ASN A 37 -1.156 12.601 -9.169 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.046 13.421 -11.726 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.739 13.771 -10.351 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.377 14.456 -11.923 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.833 10.353 -11.484 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.438 11.374 -10.097 1.00 0.00 H new ATOM 534 N GLY A 38 0.631 15.301 -9.549 1.00 0.00 N ATOM 535 CA GLY A 38 1.051 16.623 -9.120 1.00 0.00 C ATOM 536 C GLY A 38 0.311 17.094 -7.884 1.00 0.00 C ATOM 537 O GLY A 38 0.055 18.287 -7.723 1.00 0.00 O ATOM 0 H GLY A 38 1.092 14.528 -9.069 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.122 16.612 -8.917 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.888 17.333 -9.930 1.00 0.00 H new ATOM 541 N ALA A 39 -0.036 16.155 -7.010 1.00 0.00 N ATOM 542 CA ALA A 39 -0.752 16.481 -5.783 1.00 0.00 C ATOM 543 C ALA A 39 0.212 16.916 -4.684 1.00 0.00 C ATOM 544 O ALA A 39 1.130 16.180 -4.321 1.00 0.00 O ATOM 545 CB ALA A 39 -1.577 15.289 -5.321 1.00 0.00 C ATOM 0 H ALA A 39 0.167 15.163 -7.129 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.423 17.314 -5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.106 15.547 -4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.298 15.024 -6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.918 14.441 -5.134 1.00 0.00 H new ATOM 551 N LYS A 40 -0.001 18.118 -4.159 1.00 0.00 N ATOM 552 CA LYS A 40 0.849 18.652 -3.101 1.00 0.00 C ATOM 553 C LYS A 40 0.166 18.531 -1.742 1.00 0.00 C ATOM 554 O LYS A 40 -0.907 19.091 -1.524 1.00 0.00 O ATOM 555 CB LYS A 40 1.190 20.117 -3.384 1.00 0.00 C ATOM 556 CG LYS A 40 -0.013 21.043 -3.330 1.00 0.00 C ATOM 557 CD LYS A 40 0.214 22.300 -4.153 1.00 0.00 C ATOM 558 CE LYS A 40 -0.059 22.057 -5.629 1.00 0.00 C ATOM 559 NZ LYS A 40 -0.500 23.299 -6.323 1.00 0.00 N ATOM 0 H LYS A 40 -0.755 18.741 -4.449 1.00 0.00 H new ATOM 0 HA LYS A 40 1.770 18.069 -3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.931 20.455 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.650 20.190 -4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.894 20.519 -3.700 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.217 21.317 -2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.434 23.097 -3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.241 22.640 -4.023 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.843 21.674 -6.107 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.826 21.290 -5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.676 23.092 -7.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.375 23.650 -5.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.242 24.023 -6.244 1.00 0.00 H new ATOM 573 N GLY A 41 0.798 17.797 -0.830 1.00 0.00 N ATOM 574 CA GLY A 41 0.237 17.618 0.496 1.00 0.00 C ATOM 575 C GLY A 41 1.025 16.627 1.329 1.00 0.00 C ATOM 576 O GLY A 41 2.205 16.838 1.609 1.00 0.00 O ATOM 0 H GLY A 41 1.688 17.324 -0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.211 18.579 1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.794 17.275 0.408 1.00 0.00 H new ATOM 580 N LYS A 42 0.371 15.541 1.730 1.00 0.00 N ATOM 581 CA LYS A 42 1.016 14.513 2.537 1.00 0.00 C ATOM 582 C LYS A 42 0.473 13.130 2.193 1.00 0.00 C ATOM 583 O LYS A 42 -0.740 12.918 2.170 1.00 0.00 O ATOM 584 CB LYS A 42 0.808 14.799 4.026 1.00 0.00 C ATOM 585 CG LYS A 42 1.860 15.718 4.622 1.00 0.00 C ATOM 586 CD LYS A 42 3.137 14.963 4.953 1.00 0.00 C ATOM 587 CE LYS A 42 3.065 14.324 6.331 1.00 0.00 C ATOM 588 NZ LYS A 42 2.416 12.985 6.289 1.00 0.00 N ATOM 0 H LYS A 42 -0.606 15.351 1.508 1.00 0.00 H new ATOM 0 HA LYS A 42 2.083 14.530 2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.176 15.247 4.167 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.810 13.856 4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.083 16.521 3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.467 16.184 5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.310 14.192 4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.986 15.646 4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.071 14.227 6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.509 14.976 7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.843 12.370 7.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.398 13.086 6.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.553 12.562 5.349 1.00 0.00 H new ATOM 602 N ILE A 43 1.376 12.193 1.928 1.00 0.00 N ATOM 603 CA ILE A 43 0.986 10.830 1.588 1.00 0.00 C ATOM 604 C ILE A 43 1.103 9.908 2.797 1.00 0.00 C ATOM 605 O ILE A 43 2.129 9.885 3.476 1.00 0.00 O ATOM 606 CB ILE A 43 1.847 10.268 0.442 1.00 0.00 C ATOM 607 CG1 ILE A 43 1.782 11.192 -0.776 1.00 0.00 C ATOM 608 CG2 ILE A 43 1.387 8.865 0.073 1.00 0.00 C ATOM 609 CD1 ILE A 43 2.864 10.924 -1.797 1.00 0.00 C ATOM 0 H ILE A 43 2.383 12.352 1.942 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.054 10.870 1.264 1.00 0.00 H new ATOM 0 HB ILE A 43 2.882 10.214 0.779 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.808 11.082 -1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.858 12.227 -0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.005 8.481 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.480 8.212 0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.346 8.896 -0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.756 11.616 -2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.842 11.062 -1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.776 9.900 -2.160 1.00 0.00 H new ATOM 621 N ASP A 44 0.046 9.147 3.057 1.00 0.00 N ATOM 622 CA ASP A 44 0.030 8.219 4.182 1.00 0.00 C ATOM 623 C ASP A 44 -0.530 6.864 3.761 1.00 0.00 C ATOM 624 O ASP A 44 -1.539 6.789 3.061 1.00 0.00 O ATOM 625 CB ASP A 44 -0.799 8.793 5.332 1.00 0.00 C ATOM 626 CG ASP A 44 -0.447 8.169 6.668 1.00 0.00 C ATOM 627 OD1 ASP A 44 0.715 7.743 6.835 1.00 0.00 O ATOM 628 OD2 ASP A 44 -1.333 8.105 7.546 1.00 0.00 O ATOM 0 H ASP A 44 -0.811 9.154 2.504 1.00 0.00 H new ATOM 0 HA ASP A 44 1.057 8.078 4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.643 9.871 5.385 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.858 8.634 5.128 1.00 0.00 H new ATOM 633 N ALA A 45 0.133 5.796 4.193 1.00 0.00 N ATOM 634 CA ALA A 45 -0.299 4.444 3.861 1.00 0.00 C ATOM 635 C ALA A 45 -0.228 3.530 5.080 1.00 0.00 C ATOM 636 O ALA A 45 0.847 3.299 5.634 1.00 0.00 O ATOM 637 CB ALA A 45 0.547 3.882 2.729 1.00 0.00 C ATOM 0 H ALA A 45 0.971 5.841 4.773 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.338 4.492 3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.213 2.872 2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.442 4.515 1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.593 3.856 3.035 1.00 0.00 H new ATOM 643 N LYS A 46 -1.380 3.014 5.495 1.00 0.00 N ATOM 644 CA LYS A 46 -1.450 2.125 6.649 1.00 0.00 C ATOM 645 C LYS A 46 -2.375 0.945 6.371 1.00 0.00 C ATOM 646 O LYS A 46 -3.411 1.094 5.723 1.00 0.00 O ATOM 647 CB LYS A 46 -1.938 2.891 7.880 1.00 0.00 C ATOM 648 CG LYS A 46 -0.891 3.816 8.475 1.00 0.00 C ATOM 649 CD LYS A 46 -1.297 4.304 9.856 1.00 0.00 C ATOM 650 CE LYS A 46 -0.087 4.709 10.683 1.00 0.00 C ATOM 651 NZ LYS A 46 -0.481 5.266 12.007 1.00 0.00 N ATOM 0 H LYS A 46 -2.279 3.196 5.049 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.448 1.741 6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.816 3.477 7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.254 2.177 8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.063 3.293 8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.743 4.671 7.815 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.973 5.154 9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.846 3.518 10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.558 3.843 10.831 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.495 5.450 10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.372 5.530 12.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.076 6.107 11.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.015 4.550 12.540 1.00 0.00 H new ATOM 665 N VAL A 47 -1.995 -0.229 6.867 1.00 0.00 N ATOM 666 CA VAL A 47 -2.793 -1.434 6.674 1.00 0.00 C ATOM 667 C VAL A 47 -3.667 -1.714 7.891 1.00 0.00 C ATOM 668 O VAL A 47 -3.246 -1.516 9.031 1.00 0.00 O ATOM 669 CB VAL A 47 -1.901 -2.660 6.404 1.00 0.00 C ATOM 670 CG1 VAL A 47 -1.100 -3.023 7.645 1.00 0.00 C ATOM 671 CG2 VAL A 47 -2.743 -3.839 5.939 1.00 0.00 C ATOM 0 H VAL A 47 -1.140 -0.371 7.405 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.428 -1.258 5.806 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.199 -2.408 5.609 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.476 -3.892 7.434 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.467 -2.182 7.929 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.782 -3.256 8.463 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.097 -4.697 5.753 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.470 -4.093 6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.266 -3.573 5.021 1.00 0.00 H new ATOM 681 N HIS A 48 -4.888 -2.178 7.642 1.00 0.00 N ATOM 682 CA HIS A 48 -5.823 -2.487 8.718 1.00 0.00 C ATOM 683 C HIS A 48 -6.049 -3.992 8.826 1.00 0.00 C ATOM 684 O HIS A 48 -5.607 -4.759 7.970 1.00 0.00 O ATOM 685 CB HIS A 48 -7.156 -1.775 8.485 1.00 0.00 C ATOM 686 CG HIS A 48 -7.096 -0.299 8.727 1.00 0.00 C ATOM 687 ND1 HIS A 48 -7.558 0.294 9.884 1.00 0.00 N ATOM 688 CD2 HIS A 48 -6.624 0.707 7.954 1.00 0.00 C ATOM 689 CE1 HIS A 48 -7.374 1.600 9.811 1.00 0.00 C ATOM 690 NE2 HIS A 48 -6.808 1.877 8.650 1.00 0.00 N ATOM 0 H HIS A 48 -5.253 -2.348 6.705 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.390 -2.134 9.654 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.480 -1.954 7.460 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.911 -2.212 9.139 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -7.976 -0.199 10.673 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.184 0.608 6.972 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.641 2.319 10.571 1.00 0.00 H new ATOM 698 N SER A 49 -6.738 -4.408 9.883 1.00 0.00 N ATOM 699 CA SER A 49 -7.018 -5.822 10.105 1.00 0.00 C ATOM 700 C SER A 49 -8.348 -6.005 10.830 1.00 0.00 C ATOM 701 O SER A 49 -8.772 -5.165 11.624 1.00 0.00 O ATOM 702 CB SER A 49 -5.891 -6.467 10.913 1.00 0.00 C ATOM 703 OG SER A 49 -4.688 -6.513 10.164 1.00 0.00 O ATOM 0 H SER A 49 -7.113 -3.786 10.599 1.00 0.00 H new ATOM 0 HA SER A 49 -7.083 -6.311 9.133 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.730 -5.903 11.832 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.180 -7.477 11.205 1.00 0.00 H new ATOM 0 HG SER A 49 -3.983 -6.928 10.703 1.00 0.00 H new ATOM 709 N PRO A 50 -9.023 -7.130 10.552 1.00 0.00 N ATOM 710 CA PRO A 50 -10.314 -7.452 11.167 1.00 0.00 C ATOM 711 C PRO A 50 -10.184 -7.780 12.651 1.00 0.00 C ATOM 712 O PRO A 50 -11.182 -7.883 13.363 1.00 0.00 O ATOM 713 CB PRO A 50 -10.783 -8.682 10.386 1.00 0.00 C ATOM 714 CG PRO A 50 -9.530 -9.309 9.880 1.00 0.00 C ATOM 715 CD PRO A 50 -8.577 -8.176 9.616 1.00 0.00 C ATOM 0 HA PRO A 50 -11.007 -6.612 11.122 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.339 -9.368 11.025 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.445 -8.402 9.566 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.118 -10.003 10.612 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.719 -9.880 8.971 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.544 -8.468 9.803 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.631 -7.839 8.581 1.00 0.00 H new ATOM 723 N SER A 51 -8.947 -7.943 13.109 1.00 0.00 N ATOM 724 CA SER A 51 -8.687 -8.264 14.508 1.00 0.00 C ATOM 725 C SER A 51 -8.214 -7.029 15.269 1.00 0.00 C ATOM 726 O SER A 51 -7.472 -7.133 16.245 1.00 0.00 O ATOM 727 CB SER A 51 -7.639 -9.373 14.613 1.00 0.00 C ATOM 728 OG SER A 51 -6.518 -9.095 13.792 1.00 0.00 O ATOM 0 H SER A 51 -8.110 -7.858 12.533 1.00 0.00 H new ATOM 0 HA SER A 51 -9.619 -8.611 14.955 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.318 -9.477 15.649 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.082 -10.325 14.319 1.00 0.00 H new ATOM 0 HG SER A 51 -5.862 -9.818 13.878 1.00 0.00 H new ATOM 734 N GLY A 52 -8.651 -5.858 14.815 1.00 0.00 N ATOM 735 CA GLY A 52 -8.263 -4.619 15.463 1.00 0.00 C ATOM 736 C GLY A 52 -6.767 -4.376 15.403 1.00 0.00 C ATOM 737 O GLY A 52 -6.200 -3.734 16.285 1.00 0.00 O ATOM 0 H GLY A 52 -9.267 -5.746 14.010 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.782 -3.786 14.989 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.583 -4.642 16.505 1.00 0.00 H new ATOM 741 N ALA A 53 -6.128 -4.893 14.359 1.00 0.00 N ATOM 742 CA ALA A 53 -4.690 -4.729 14.187 1.00 0.00 C ATOM 743 C ALA A 53 -4.380 -3.699 13.106 1.00 0.00 C ATOM 744 O ALA A 53 -5.037 -3.660 12.065 1.00 0.00 O ATOM 745 CB ALA A 53 -4.043 -6.064 13.847 1.00 0.00 C ATOM 0 H ALA A 53 -6.583 -5.429 13.620 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.276 -4.366 15.128 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.969 -5.926 13.721 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.226 -6.773 14.654 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.470 -6.450 12.921 1.00 0.00 H new ATOM 751 N VAL A 54 -3.376 -2.865 13.359 1.00 0.00 N ATOM 752 CA VAL A 54 -2.980 -1.834 12.407 1.00 0.00 C ATOM 753 C VAL A 54 -1.462 -1.751 12.288 1.00 0.00 C ATOM 754 O VAL A 54 -0.779 -1.330 13.221 1.00 0.00 O ATOM 755 CB VAL A 54 -3.528 -0.454 12.814 1.00 0.00 C ATOM 756 CG1 VAL A 54 -3.064 0.615 11.836 1.00 0.00 C ATOM 757 CG2 VAL A 54 -5.047 -0.488 12.898 1.00 0.00 C ATOM 0 H VAL A 54 -2.822 -2.883 14.215 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.403 -2.114 11.442 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.137 -0.204 13.800 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.461 1.583 12.140 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.975 0.655 11.831 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.423 0.373 10.836 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.418 0.496 13.187 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.459 -0.760 11.926 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.354 -1.224 13.641 1.00 0.00 H new ATOM 767 N GLU A 55 -0.942 -2.155 11.134 1.00 0.00 N ATOM 768 CA GLU A 55 0.496 -2.126 10.893 1.00 0.00 C ATOM 769 C GLU A 55 0.884 -0.908 10.060 1.00 0.00 C ATOM 770 O GLU A 55 0.061 -0.356 9.330 1.00 0.00 O ATOM 771 CB GLU A 55 0.943 -3.407 10.184 1.00 0.00 C ATOM 772 CG GLU A 55 1.343 -4.522 11.135 1.00 0.00 C ATOM 773 CD GLU A 55 0.338 -4.723 12.253 1.00 0.00 C ATOM 774 OE1 GLU A 55 -0.875 -4.763 11.959 1.00 0.00 O ATOM 775 OE2 GLU A 55 0.764 -4.841 13.421 1.00 0.00 O ATOM 0 H GLU A 55 -1.494 -2.506 10.352 1.00 0.00 H new ATOM 0 HA GLU A 55 0.999 -2.059 11.858 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.134 -3.759 9.545 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.786 -3.176 9.533 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.449 -5.451 10.575 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.319 -4.295 11.565 1.00 0.00 H new ATOM 782 N GLU A 56 2.142 -0.496 10.175 1.00 0.00 N ATOM 783 CA GLU A 56 2.639 0.657 9.433 1.00 0.00 C ATOM 784 C GLU A 56 3.440 0.215 8.212 1.00 0.00 C ATOM 785 O GLU A 56 4.340 -0.620 8.316 1.00 0.00 O ATOM 786 CB GLU A 56 3.506 1.537 10.335 1.00 0.00 C ATOM 787 CG GLU A 56 4.045 2.777 9.641 1.00 0.00 C ATOM 788 CD GLU A 56 5.384 2.535 8.972 1.00 0.00 C ATOM 789 OE1 GLU A 56 5.709 1.359 8.704 1.00 0.00 O ATOM 790 OE2 GLU A 56 6.107 3.521 8.717 1.00 0.00 O ATOM 0 H GLU A 56 2.836 -0.943 10.775 1.00 0.00 H new ATOM 0 HA GLU A 56 1.780 1.235 9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.920 1.842 11.202 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.343 0.947 10.708 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.325 3.113 8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.147 3.581 10.370 1.00 0.00 H new ATOM 797 N CYS A 57 3.107 0.780 7.057 1.00 0.00 N ATOM 798 CA CYS A 57 3.794 0.444 5.815 1.00 0.00 C ATOM 799 C CYS A 57 4.983 1.371 5.584 1.00 0.00 C ATOM 800 O CYS A 57 4.865 2.591 5.701 1.00 0.00 O ATOM 801 CB CYS A 57 2.827 0.530 4.634 1.00 0.00 C ATOM 802 SG CYS A 57 1.296 -0.403 4.864 1.00 0.00 S ATOM 0 H CYS A 57 2.366 1.473 6.955 1.00 0.00 H new ATOM 0 HA CYS A 57 4.164 -0.578 5.898 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.579 1.577 4.457 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.331 0.166 3.739 1.00 0.00 H new ATOM 0 HG CYS A 57 0.543 -0.267 3.813 1.00 0.00 H new ATOM 808 N HIS A 58 6.130 0.784 5.255 1.00 0.00 N ATOM 809 CA HIS A 58 7.342 1.557 5.008 1.00 0.00 C ATOM 810 C HIS A 58 7.189 2.423 3.761 1.00 0.00 C ATOM 811 O HIS A 58 7.310 1.936 2.636 1.00 0.00 O ATOM 812 CB HIS A 58 8.544 0.625 4.852 1.00 0.00 C ATOM 813 CG HIS A 58 9.844 1.348 4.679 1.00 0.00 C ATOM 814 ND1 HIS A 58 10.701 1.113 3.625 1.00 0.00 N ATOM 815 CD2 HIS A 58 10.430 2.308 5.432 1.00 0.00 C ATOM 816 CE1 HIS A 58 11.760 1.895 3.738 1.00 0.00 C ATOM 817 NE2 HIS A 58 11.620 2.630 4.826 1.00 0.00 N ATOM 0 H HIS A 58 6.245 -0.224 5.153 1.00 0.00 H new ATOM 0 HA HIS A 58 7.508 2.210 5.865 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.610 -0.019 5.729 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.381 -0.024 3.991 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.036 2.740 6.340 1.00 0.00 H new ATOM 0 HE1 HIS A 58 12.597 1.927 3.057 1.00 0.00 H new ATOM 0 HE2 HIS A 58 12.287 3.324 5.162 1.00 0.00 H new ATOM 825 N VAL A 59 6.921 3.708 3.968 1.00 0.00 N ATOM 826 CA VAL A 59 6.751 4.642 2.861 1.00 0.00 C ATOM 827 C VAL A 59 8.062 5.346 2.531 1.00 0.00 C ATOM 828 O VAL A 59 8.501 6.237 3.259 1.00 0.00 O ATOM 829 CB VAL A 59 5.678 5.700 3.178 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.399 6.561 1.955 1.00 0.00 C ATOM 831 CG2 VAL A 59 4.404 5.033 3.673 1.00 0.00 C ATOM 0 H VAL A 59 6.817 4.126 4.892 1.00 0.00 H new ATOM 0 HA VAL A 59 6.429 4.057 2.000 1.00 0.00 H new ATOM 0 HB VAL A 59 6.053 6.348 3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.638 7.303 2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.315 7.067 1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.044 5.931 1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.656 5.795 3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.023 4.361 2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.619 4.464 4.578 1.00 0.00 H new ATOM 841 N SER A 60 8.684 4.942 1.428 1.00 0.00 N ATOM 842 CA SER A 60 9.948 5.532 1.002 1.00 0.00 C ATOM 843 C SER A 60 9.737 6.473 -0.180 1.00 0.00 C ATOM 844 O SER A 60 9.062 6.127 -1.149 1.00 0.00 O ATOM 845 CB SER A 60 10.946 4.436 0.624 1.00 0.00 C ATOM 846 OG SER A 60 10.611 3.849 -0.621 1.00 0.00 O ATOM 0 H SER A 60 8.333 4.208 0.813 1.00 0.00 H new ATOM 0 HA SER A 60 10.351 6.108 1.835 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.950 4.856 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.960 3.670 1.399 1.00 0.00 H new ATOM 0 HG SER A 60 11.163 3.053 -0.766 1.00 0.00 H new ATOM 852 N GLU A 61 10.320 7.664 -0.092 1.00 0.00 N ATOM 853 CA GLU A 61 10.195 8.656 -1.154 1.00 0.00 C ATOM 854 C GLU A 61 11.414 8.626 -2.072 1.00 0.00 C ATOM 855 O GLU A 61 12.407 9.313 -1.826 1.00 0.00 O ATOM 856 CB GLU A 61 10.025 10.055 -0.559 1.00 0.00 C ATOM 857 CG GLU A 61 9.890 11.149 -1.604 1.00 0.00 C ATOM 858 CD GLU A 61 9.687 12.521 -0.990 1.00 0.00 C ATOM 859 OE1 GLU A 61 9.041 12.604 0.075 1.00 0.00 O ATOM 860 OE2 GLU A 61 10.175 13.511 -1.575 1.00 0.00 O ATOM 0 H GLU A 61 10.883 7.966 0.703 1.00 0.00 H new ATOM 0 HA GLU A 61 9.311 8.411 -1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.142 10.064 0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.882 10.276 0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.784 11.163 -2.228 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.049 10.920 -2.258 1.00 0.00 H new ATOM 867 N LEU A 62 11.332 7.826 -3.129 1.00 0.00 N ATOM 868 CA LEU A 62 12.427 7.706 -4.084 1.00 0.00 C ATOM 869 C LEU A 62 12.352 8.803 -5.141 1.00 0.00 C ATOM 870 O LEU A 62 13.368 9.381 -5.523 1.00 0.00 O ATOM 871 CB LEU A 62 12.396 6.332 -4.756 1.00 0.00 C ATOM 872 CG LEU A 62 11.929 5.168 -3.881 1.00 0.00 C ATOM 873 CD1 LEU A 62 11.679 3.930 -4.729 1.00 0.00 C ATOM 874 CD2 LEU A 62 12.951 4.874 -2.793 1.00 0.00 C ATOM 0 H LEU A 62 10.518 7.251 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 62 13.364 7.816 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.743 6.390 -5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.397 6.106 -5.122 1.00 0.00 H new ATOM 0 HG LEU A 62 10.991 5.452 -3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.347 3.112 -4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.910 4.146 -5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.601 3.644 -5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.601 4.043 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.905 4.611 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.080 5.757 -2.167 1.00 0.00 H new ATOM 886 N GLU A 63 11.139 9.084 -5.609 1.00 0.00 N ATOM 887 CA GLU A 63 10.931 10.113 -6.621 1.00 0.00 C ATOM 888 C GLU A 63 9.854 11.100 -6.181 1.00 0.00 C ATOM 889 O GLU A 63 8.904 10.748 -5.480 1.00 0.00 O ATOM 890 CB GLU A 63 10.540 9.476 -7.956 1.00 0.00 C ATOM 891 CG GLU A 63 11.233 8.150 -8.223 1.00 0.00 C ATOM 892 CD GLU A 63 12.702 8.316 -8.558 1.00 0.00 C ATOM 893 OE1 GLU A 63 13.019 8.539 -9.745 1.00 0.00 O ATOM 894 OE2 GLU A 63 13.535 8.224 -7.632 1.00 0.00 O ATOM 0 H GLU A 63 10.287 8.614 -5.304 1.00 0.00 H new ATOM 0 HA GLU A 63 11.868 10.656 -6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.461 9.323 -7.974 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.777 10.169 -8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.134 7.510 -7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.732 7.642 -9.047 1.00 0.00 H new ATOM 901 N PRO A 64 10.003 12.365 -6.600 1.00 0.00 N ATOM 902 CA PRO A 64 9.053 13.428 -6.262 1.00 0.00 C ATOM 903 C PRO A 64 7.710 13.251 -6.963 1.00 0.00 C ATOM 904 O PRO A 64 6.763 13.996 -6.708 1.00 0.00 O ATOM 905 CB PRO A 64 9.751 14.698 -6.756 1.00 0.00 C ATOM 906 CG PRO A 64 10.662 14.232 -7.838 1.00 0.00 C ATOM 907 CD PRO A 64 11.111 12.854 -7.438 1.00 0.00 C ATOM 0 HA PRO A 64 8.818 13.441 -5.198 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.031 15.425 -7.131 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.306 15.183 -5.953 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.148 14.211 -8.799 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.514 14.903 -7.947 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.270 12.215 -8.307 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.051 12.882 -6.886 1.00 0.00 H new ATOM 915 N ASP A 65 7.635 12.261 -7.845 1.00 0.00 N ATOM 916 CA ASP A 65 6.407 11.985 -8.582 1.00 0.00 C ATOM 917 C ASP A 65 6.001 10.522 -8.432 1.00 0.00 C ATOM 918 O ASP A 65 4.940 10.110 -8.901 1.00 0.00 O ATOM 919 CB ASP A 65 6.587 12.328 -10.062 1.00 0.00 C ATOM 920 CG ASP A 65 7.484 11.339 -10.780 1.00 0.00 C ATOM 921 OD1 ASP A 65 8.719 11.522 -10.742 1.00 0.00 O ATOM 922 OD2 ASP A 65 6.951 10.382 -11.380 1.00 0.00 O ATOM 0 H ASP A 65 8.410 11.636 -8.067 1.00 0.00 H new ATOM 0 HA ASP A 65 5.615 12.608 -8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.612 12.349 -10.548 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.010 13.329 -10.151 1.00 0.00 H new ATOM 927 N LYS A 66 6.852 9.741 -7.776 1.00 0.00 N ATOM 928 CA LYS A 66 6.583 8.324 -7.563 1.00 0.00 C ATOM 929 C LYS A 66 7.006 7.894 -6.162 1.00 0.00 C ATOM 930 O LYS A 66 8.072 8.279 -5.680 1.00 0.00 O ATOM 931 CB LYS A 66 7.315 7.482 -8.610 1.00 0.00 C ATOM 932 CG LYS A 66 6.617 6.172 -8.933 1.00 0.00 C ATOM 933 CD LYS A 66 7.555 5.197 -9.625 1.00 0.00 C ATOM 934 CE LYS A 66 7.081 3.760 -9.465 1.00 0.00 C ATOM 935 NZ LYS A 66 5.916 3.460 -10.342 1.00 0.00 N ATOM 0 H LYS A 66 7.735 10.066 -7.382 1.00 0.00 H new ATOM 0 HA LYS A 66 5.509 8.165 -7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.418 8.065 -9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.323 7.269 -8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.238 5.724 -8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.755 6.365 -9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.621 5.444 -10.685 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.558 5.299 -9.211 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.899 3.079 -9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.808 3.581 -8.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.623 2.472 -10.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.127 4.092 -10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.183 3.606 -11.336 1.00 0.00 H new ATOM 949 N TYR A 67 6.167 7.094 -5.514 1.00 0.00 N ATOM 950 CA TYR A 67 6.454 6.613 -4.169 1.00 0.00 C ATOM 951 C TYR A 67 6.381 5.090 -4.107 1.00 0.00 C ATOM 952 O TYR A 67 5.810 4.449 -4.989 1.00 0.00 O ATOM 953 CB TYR A 67 5.473 7.223 -3.166 1.00 0.00 C ATOM 954 CG TYR A 67 5.787 8.658 -2.808 1.00 0.00 C ATOM 955 CD1 TYR A 67 5.682 9.669 -3.755 1.00 0.00 C ATOM 956 CD2 TYR A 67 6.189 9.003 -1.524 1.00 0.00 C ATOM 957 CE1 TYR A 67 5.967 10.982 -3.434 1.00 0.00 C ATOM 958 CE2 TYR A 67 6.476 10.313 -1.193 1.00 0.00 C ATOM 959 CZ TYR A 67 6.364 11.299 -2.151 1.00 0.00 C ATOM 960 OH TYR A 67 6.650 12.605 -1.826 1.00 0.00 O ATOM 0 H TYR A 67 5.282 6.765 -5.899 1.00 0.00 H new ATOM 0 HA TYR A 67 7.467 6.921 -3.910 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.466 7.173 -3.579 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.475 6.622 -2.257 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.372 9.424 -4.760 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.279 8.234 -0.771 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.880 11.756 -4.183 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.786 10.564 -0.189 1.00 0.00 H new ATOM 0 HH TYR A 67 7.034 12.641 -0.925 1.00 0.00 H new ATOM 970 N ALA A 68 6.963 4.518 -3.058 1.00 0.00 N ATOM 971 CA ALA A 68 6.962 3.072 -2.879 1.00 0.00 C ATOM 972 C ALA A 68 6.551 2.695 -1.460 1.00 0.00 C ATOM 973 O ALA A 68 7.186 3.106 -0.489 1.00 0.00 O ATOM 974 CB ALA A 68 8.334 2.499 -3.202 1.00 0.00 C ATOM 0 H ALA A 68 7.441 5.034 -2.320 1.00 0.00 H new ATOM 0 HA ALA A 68 6.231 2.646 -3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.318 1.418 -3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.590 2.729 -4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.078 2.939 -2.538 1.00 0.00 H new ATOM 980 N VAL A 69 5.484 1.910 -1.347 1.00 0.00 N ATOM 981 CA VAL A 69 4.988 1.477 -0.046 1.00 0.00 C ATOM 982 C VAL A 69 5.123 -0.032 0.120 1.00 0.00 C ATOM 983 O VAL A 69 4.475 -0.805 -0.586 1.00 0.00 O ATOM 984 CB VAL A 69 3.512 1.874 0.153 1.00 0.00 C ATOM 985 CG1 VAL A 69 3.043 1.503 1.551 1.00 0.00 C ATOM 986 CG2 VAL A 69 3.321 3.361 -0.106 1.00 0.00 C ATOM 0 H VAL A 69 4.947 1.561 -2.141 1.00 0.00 H new ATOM 0 HA VAL A 69 5.597 1.978 0.707 1.00 0.00 H new ATOM 0 HB VAL A 69 2.905 1.323 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.999 1.791 1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.142 0.427 1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.652 2.025 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.273 3.624 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.938 3.933 0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.615 3.593 -1.130 1.00 0.00 H new ATOM 996 N ARG A 70 5.970 -0.445 1.057 1.00 0.00 N ATOM 997 CA ARG A 70 6.192 -1.863 1.315 1.00 0.00 C ATOM 998 C ARG A 70 5.415 -2.319 2.547 1.00 0.00 C ATOM 999 O ARG A 70 5.363 -1.616 3.556 1.00 0.00 O ATOM 1000 CB ARG A 70 7.684 -2.141 1.508 1.00 0.00 C ATOM 1001 CG ARG A 70 8.056 -3.606 1.347 1.00 0.00 C ATOM 1002 CD ARG A 70 9.256 -3.973 2.207 1.00 0.00 C ATOM 1003 NE ARG A 70 10.478 -3.318 1.749 1.00 0.00 N ATOM 1004 CZ ARG A 70 11.160 -3.702 0.676 1.00 0.00 C ATOM 1005 NH1 ARG A 70 10.741 -4.731 -0.047 1.00 0.00 N ATOM 1006 NH2 ARG A 70 12.264 -3.055 0.323 1.00 0.00 N ATOM 0 H ARG A 70 6.514 0.182 1.650 1.00 0.00 H new ATOM 0 HA ARG A 70 5.834 -2.424 0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.251 -1.550 0.789 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.982 -1.806 2.502 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.206 -4.231 1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.280 -3.813 0.301 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.060 -3.692 3.242 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.396 -5.054 2.191 1.00 0.00 H new ATOM 0 HE ARG A 70 10.827 -2.522 2.282 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.893 -5.230 0.220 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.267 -5.023 -0.871 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.589 -2.262 0.876 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.787 -3.351 -0.501 1.00 0.00 H new ATOM 1020 N PHE A 71 4.813 -3.500 2.456 1.00 0.00 N ATOM 1021 CA PHE A 71 4.037 -4.050 3.562 1.00 0.00 C ATOM 1022 C PHE A 71 3.873 -5.560 3.414 1.00 0.00 C ATOM 1023 O PHE A 71 3.876 -6.088 2.302 1.00 0.00 O ATOM 1024 CB PHE A 71 2.663 -3.380 3.632 1.00 0.00 C ATOM 1025 CG PHE A 71 1.691 -3.901 2.612 1.00 0.00 C ATOM 1026 CD1 PHE A 71 1.765 -3.490 1.291 1.00 0.00 C ATOM 1027 CD2 PHE A 71 0.701 -4.800 2.976 1.00 0.00 C ATOM 1028 CE1 PHE A 71 0.872 -3.967 0.351 1.00 0.00 C ATOM 1029 CE2 PHE A 71 -0.195 -5.281 2.039 1.00 0.00 C ATOM 1030 CZ PHE A 71 -0.110 -4.863 0.726 1.00 0.00 C ATOM 0 H PHE A 71 4.847 -4.095 1.628 1.00 0.00 H new ATOM 0 HA PHE A 71 4.578 -3.850 4.487 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.246 -3.527 4.628 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.784 -2.306 3.492 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.530 -2.788 0.993 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.629 -5.128 4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.942 -3.640 -0.676 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.961 -5.983 2.334 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.810 -5.236 -0.007 1.00 0.00 H new ATOM 1040 N ILE A 72 3.731 -6.247 4.542 1.00 0.00 N ATOM 1041 CA ILE A 72 3.565 -7.695 4.538 1.00 0.00 C ATOM 1042 C ILE A 72 2.094 -8.080 4.659 1.00 0.00 C ATOM 1043 O ILE A 72 1.505 -8.045 5.739 1.00 0.00 O ATOM 1044 CB ILE A 72 4.353 -8.355 5.684 1.00 0.00 C ATOM 1045 CG1 ILE A 72 5.837 -7.995 5.586 1.00 0.00 C ATOM 1046 CG2 ILE A 72 4.166 -9.865 5.655 1.00 0.00 C ATOM 1047 CD1 ILE A 72 6.638 -8.396 6.805 1.00 0.00 C ATOM 0 H ILE A 72 3.728 -5.824 5.470 1.00 0.00 H new ATOM 0 HA ILE A 72 3.955 -8.055 3.586 1.00 0.00 H new ATOM 0 HB ILE A 72 3.969 -7.979 6.632 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.262 -8.478 4.707 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.933 -6.920 5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.729 -10.317 6.471 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.108 -10.103 5.769 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.526 -10.258 4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.681 -8.110 6.666 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.238 -7.892 7.685 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.573 -9.475 6.944 1.00 0.00 H new ATOM 1059 N PRO A 73 1.486 -8.459 3.525 1.00 0.00 N ATOM 1060 CA PRO A 73 0.077 -8.861 3.478 1.00 0.00 C ATOM 1061 C PRO A 73 -0.168 -10.197 4.171 1.00 0.00 C ATOM 1062 O PRO A 73 -0.251 -11.239 3.520 1.00 0.00 O ATOM 1063 CB PRO A 73 -0.209 -8.975 1.979 1.00 0.00 C ATOM 1064 CG PRO A 73 1.117 -9.253 1.360 1.00 0.00 C ATOM 1065 CD PRO A 73 2.128 -8.524 2.201 1.00 0.00 C ATOM 0 HA PRO A 73 -0.567 -8.151 3.996 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.919 -9.776 1.771 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.643 -8.055 1.588 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.323 -10.323 1.343 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.146 -8.906 0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.078 -9.058 2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.337 -7.530 1.806 1.00 0.00 H new ATOM 1073 N HIS A 74 -0.284 -10.159 5.494 1.00 0.00 N ATOM 1074 CA HIS A 74 -0.521 -11.368 6.275 1.00 0.00 C ATOM 1075 C HIS A 74 -1.779 -11.226 7.128 1.00 0.00 C ATOM 1076 O HIS A 74 -1.772 -10.542 8.151 1.00 0.00 O ATOM 1077 CB HIS A 74 0.683 -11.668 7.168 1.00 0.00 C ATOM 1078 CG HIS A 74 0.829 -10.718 8.317 1.00 0.00 C ATOM 1079 ND1 HIS A 74 1.231 -9.408 8.163 1.00 0.00 N ATOM 1080 CD2 HIS A 74 0.622 -10.893 9.643 1.00 0.00 C ATOM 1081 CE1 HIS A 74 1.267 -8.819 9.345 1.00 0.00 C ATOM 1082 NE2 HIS A 74 0.901 -9.698 10.260 1.00 0.00 N ATOM 0 H HIS A 74 -0.218 -9.305 6.048 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.665 -12.196 5.581 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.593 -12.683 7.556 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.590 -11.636 6.564 1.00 0.00 H new ATOM 0 HD1 HIS A 74 1.464 -8.963 7.275 1.00 0.00 H new ATOM 0 HD2 HIS A 74 0.298 -11.803 10.126 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.548 -7.793 9.531 1.00 0.00 H new ATOM 1090 N GLU A 75 -2.855 -11.877 6.698 1.00 0.00 N ATOM 1091 CA GLU A 75 -4.120 -11.821 7.422 1.00 0.00 C ATOM 1092 C GLU A 75 -4.876 -13.141 7.300 1.00 0.00 C ATOM 1093 O GLU A 75 -4.599 -13.947 6.413 1.00 0.00 O ATOM 1094 CB GLU A 75 -4.985 -10.674 6.894 1.00 0.00 C ATOM 1095 CG GLU A 75 -5.874 -10.045 7.954 1.00 0.00 C ATOM 1096 CD GLU A 75 -7.055 -9.304 7.359 1.00 0.00 C ATOM 1097 OE1 GLU A 75 -6.858 -8.174 6.864 1.00 0.00 O ATOM 1098 OE2 GLU A 75 -8.177 -9.853 7.388 1.00 0.00 O ATOM 0 H GLU A 75 -2.877 -12.448 5.853 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.899 -11.645 8.475 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.337 -9.906 6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.610 -11.045 6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.238 -10.822 8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.283 -9.355 8.556 1.00 0.00 H new ATOM 1105 N ASN A 76 -5.832 -13.354 8.198 1.00 0.00 N ATOM 1106 CA ASN A 76 -6.627 -14.577 8.192 1.00 0.00 C ATOM 1107 C ASN A 76 -7.954 -14.358 7.472 1.00 0.00 C ATOM 1108 O ASN A 76 -8.883 -15.155 7.605 1.00 0.00 O ATOM 1109 CB ASN A 76 -6.883 -15.050 9.625 1.00 0.00 C ATOM 1110 CG ASN A 76 -7.012 -13.897 10.601 1.00 0.00 C ATOM 1111 OD1 ASN A 76 -6.032 -13.481 11.220 1.00 0.00 O ATOM 1112 ND2 ASN A 76 -8.224 -13.375 10.743 1.00 0.00 N ATOM 0 H ASN A 76 -6.075 -12.696 8.939 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.066 -15.344 7.658 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.795 -15.647 9.650 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.067 -15.700 9.941 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.372 -12.597 11.386 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.007 -13.752 10.209 1.00 0.00 H new ATOM 1119 N GLY A 77 -8.036 -13.273 6.709 1.00 0.00 N ATOM 1120 CA GLY A 77 -9.253 -12.969 5.979 1.00 0.00 C ATOM 1121 C GLY A 77 -9.029 -11.952 4.878 1.00 0.00 C ATOM 1122 O GLY A 77 -8.211 -12.164 3.983 1.00 0.00 O ATOM 0 H GLY A 77 -7.281 -12.599 6.583 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.652 -13.886 5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.004 -12.590 6.672 1.00 0.00 H new ATOM 1126 N VAL A 78 -9.760 -10.843 4.941 1.00 0.00 N ATOM 1127 CA VAL A 78 -9.639 -9.789 3.942 1.00 0.00 C ATOM 1128 C VAL A 78 -8.819 -8.619 4.474 1.00 0.00 C ATOM 1129 O VAL A 78 -8.943 -8.238 5.638 1.00 0.00 O ATOM 1130 CB VAL A 78 -11.021 -9.273 3.499 1.00 0.00 C ATOM 1131 CG1 VAL A 78 -10.872 -8.135 2.500 1.00 0.00 C ATOM 1132 CG2 VAL A 78 -11.848 -10.406 2.909 1.00 0.00 C ATOM 0 H VAL A 78 -10.443 -10.652 5.674 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.130 -10.225 3.083 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.544 -8.889 4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.859 -7.784 2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.320 -7.316 2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.330 -8.489 1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.821 -10.024 2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.331 -10.821 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.985 -11.185 3.659 1.00 0.00 H new ATOM 1142 N HIS A 79 -7.980 -8.051 3.613 1.00 0.00 N ATOM 1143 CA HIS A 79 -7.139 -6.923 3.996 1.00 0.00 C ATOM 1144 C HIS A 79 -7.756 -5.605 3.538 1.00 0.00 C ATOM 1145 O HIS A 79 -8.556 -5.573 2.601 1.00 0.00 O ATOM 1146 CB HIS A 79 -5.739 -7.078 3.401 1.00 0.00 C ATOM 1147 CG HIS A 79 -5.187 -8.465 3.520 1.00 0.00 C ATOM 1148 ND1 HIS A 79 -3.977 -8.745 4.119 1.00 0.00 N ATOM 1149 CD2 HIS A 79 -5.689 -9.655 3.114 1.00 0.00 C ATOM 1150 CE1 HIS A 79 -3.758 -10.047 4.075 1.00 0.00 C ATOM 1151 NE2 HIS A 79 -4.782 -10.622 3.470 1.00 0.00 N ATOM 0 H HIS A 79 -7.865 -8.354 2.646 1.00 0.00 H new ATOM 0 HA HIS A 79 -7.064 -6.910 5.083 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.768 -6.796 2.348 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.063 -6.383 3.899 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.349 -8.055 4.531 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.628 -9.814 2.605 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.889 -10.555 4.467 1.00 0.00 H new ATOM 1159 N THR A 80 -7.381 -4.518 4.204 1.00 0.00 N ATOM 1160 CA THR A 80 -7.899 -3.198 3.867 1.00 0.00 C ATOM 1161 C THR A 80 -6.801 -2.143 3.932 1.00 0.00 C ATOM 1162 O THR A 80 -6.227 -1.895 4.993 1.00 0.00 O ATOM 1163 CB THR A 80 -9.046 -2.787 4.810 1.00 0.00 C ATOM 1164 OG1 THR A 80 -9.998 -3.851 4.917 1.00 0.00 O ATOM 1165 CG2 THR A 80 -9.738 -1.530 4.305 1.00 0.00 C ATOM 0 H THR A 80 -6.720 -4.526 4.981 1.00 0.00 H new ATOM 0 HA THR A 80 -8.280 -3.259 2.848 1.00 0.00 H new ATOM 0 HB THR A 80 -8.622 -2.580 5.792 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.723 -3.582 5.519 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.544 -1.259 4.987 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.017 -0.714 4.253 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.149 -1.715 3.313 1.00 0.00 H new ATOM 1173 N ILE A 81 -6.513 -1.525 2.792 1.00 0.00 N ATOM 1174 CA ILE A 81 -5.484 -0.495 2.720 1.00 0.00 C ATOM 1175 C ILE A 81 -6.070 0.887 2.988 1.00 0.00 C ATOM 1176 O ILE A 81 -6.974 1.336 2.284 1.00 0.00 O ATOM 1177 CB ILE A 81 -4.789 -0.488 1.346 1.00 0.00 C ATOM 1178 CG1 ILE A 81 -4.281 -1.889 1.000 1.00 0.00 C ATOM 1179 CG2 ILE A 81 -3.643 0.513 1.337 1.00 0.00 C ATOM 1180 CD1 ILE A 81 -3.997 -2.083 -0.473 1.00 0.00 C ATOM 0 H ILE A 81 -6.978 -1.720 1.905 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.748 -0.730 3.489 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.515 -0.188 0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.371 -2.087 1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.020 -2.624 1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.162 0.506 0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.030 1.511 1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.915 0.240 2.101 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.641 -3.099 -0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.910 -1.918 -1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.235 -1.372 -0.793 1.00 0.00 H new ATOM 1192 N ASP A 82 -5.547 1.558 4.009 1.00 0.00 N ATOM 1193 CA ASP A 82 -6.016 2.891 4.368 1.00 0.00 C ATOM 1194 C ASP A 82 -5.082 3.963 3.815 1.00 0.00 C ATOM 1195 O ASP A 82 -4.027 4.237 4.387 1.00 0.00 O ATOM 1196 CB ASP A 82 -6.123 3.024 5.888 1.00 0.00 C ATOM 1197 CG ASP A 82 -5.953 4.456 6.357 1.00 0.00 C ATOM 1198 OD1 ASP A 82 -6.861 5.275 6.103 1.00 0.00 O ATOM 1199 OD2 ASP A 82 -4.912 4.759 6.977 1.00 0.00 O ATOM 0 H ASP A 82 -4.798 1.200 4.602 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.003 3.033 3.928 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.093 2.650 6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.365 2.398 6.359 1.00 0.00 H new ATOM 1204 N VAL A 83 -5.477 4.566 2.698 1.00 0.00 N ATOM 1205 CA VAL A 83 -4.676 5.608 2.068 1.00 0.00 C ATOM 1206 C VAL A 83 -5.270 6.988 2.323 1.00 0.00 C ATOM 1207 O VAL A 83 -6.402 7.272 1.931 1.00 0.00 O ATOM 1208 CB VAL A 83 -4.560 5.384 0.548 1.00 0.00 C ATOM 1209 CG1 VAL A 83 -3.701 6.467 -0.087 1.00 0.00 C ATOM 1210 CG2 VAL A 83 -3.994 4.003 0.255 1.00 0.00 C ATOM 0 H VAL A 83 -6.347 4.350 2.211 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.682 5.556 2.513 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.557 5.443 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.630 6.292 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.153 7.442 0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.703 6.443 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.919 3.862 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.004 3.913 0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.653 3.243 0.675 1.00 0.00 H new ATOM 1220 N LYS A 84 -4.498 7.845 2.983 1.00 0.00 N ATOM 1221 CA LYS A 84 -4.946 9.198 3.291 1.00 0.00 C ATOM 1222 C LYS A 84 -4.031 10.234 2.645 1.00 0.00 C ATOM 1223 O LYS A 84 -2.807 10.101 2.676 1.00 0.00 O ATOM 1224 CB LYS A 84 -4.987 9.412 4.806 1.00 0.00 C ATOM 1225 CG LYS A 84 -6.286 8.959 5.449 1.00 0.00 C ATOM 1226 CD LYS A 84 -6.201 8.999 6.965 1.00 0.00 C ATOM 1227 CE LYS A 84 -7.555 8.733 7.606 1.00 0.00 C ATOM 1228 NZ LYS A 84 -8.539 9.805 7.290 1.00 0.00 N ATOM 0 H LYS A 84 -3.559 7.626 3.315 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.950 9.322 2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.158 8.873 5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.835 10.470 5.019 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.102 9.598 5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.520 7.945 5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.482 8.256 7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.831 9.973 7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.939 7.774 7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.436 8.656 8.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.762 10.337 8.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.134 10.450 6.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.409 9.378 6.912 1.00 0.00 H new ATOM 1242 N PHE A 85 -4.631 11.267 2.063 1.00 0.00 N ATOM 1243 CA PHE A 85 -3.870 12.326 1.410 1.00 0.00 C ATOM 1244 C PHE A 85 -4.402 13.700 1.805 1.00 0.00 C ATOM 1245 O PHE A 85 -5.311 14.232 1.169 1.00 0.00 O ATOM 1246 CB PHE A 85 -3.927 12.161 -0.110 1.00 0.00 C ATOM 1247 CG PHE A 85 -2.948 13.033 -0.844 1.00 0.00 C ATOM 1248 CD1 PHE A 85 -1.660 12.589 -1.097 1.00 0.00 C ATOM 1249 CD2 PHE A 85 -3.316 14.295 -1.281 1.00 0.00 C ATOM 1250 CE1 PHE A 85 -0.757 13.389 -1.772 1.00 0.00 C ATOM 1251 CE2 PHE A 85 -2.418 15.100 -1.956 1.00 0.00 C ATOM 1252 CZ PHE A 85 -1.137 14.646 -2.203 1.00 0.00 C ATOM 0 H PHE A 85 -5.643 11.393 2.030 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.833 12.250 1.738 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.733 11.118 -0.362 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.935 12.390 -0.455 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.358 11.607 -0.763 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.317 14.654 -1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.244 13.032 -1.962 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.717 16.083 -2.290 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.434 15.272 -2.732 1.00 0.00 H new ATOM 1262 N ASN A 86 -3.829 14.270 2.860 1.00 0.00 N ATOM 1263 CA ASN A 86 -4.245 15.582 3.341 1.00 0.00 C ATOM 1264 C ASN A 86 -5.613 15.506 4.013 1.00 0.00 C ATOM 1265 O ASN A 86 -6.464 16.371 3.813 1.00 0.00 O ATOM 1266 CB ASN A 86 -4.288 16.582 2.185 1.00 0.00 C ATOM 1267 CG ASN A 86 -4.212 18.020 2.661 1.00 0.00 C ATOM 1268 OD1 ASN A 86 -3.185 18.736 2.218 1.00 0.00 O flip ATOM 1269 ND2 ASN A 86 -5.067 18.481 3.417 1.00 0.00 N flip ATOM 0 H ASN A 86 -3.075 13.843 3.398 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.516 15.919 4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.460 16.383 1.505 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.208 16.438 1.618 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.839 17.894 3.732 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.003 19.450 3.728 1.00 0.00 H new ATOM 1276 N GLY A 87 -5.817 14.462 4.812 1.00 0.00 N ATOM 1277 CA GLY A 87 -7.082 14.292 5.502 1.00 0.00 C ATOM 1278 C GLY A 87 -8.224 13.988 4.553 1.00 0.00 C ATOM 1279 O GLY A 87 -9.307 14.560 4.671 1.00 0.00 O ATOM 0 H GLY A 87 -5.129 13.732 4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.991 13.483 6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.311 15.198 6.063 1.00 0.00 H new ATOM 1283 N SER A 88 -7.981 13.087 3.607 1.00 0.00 N ATOM 1284 CA SER A 88 -8.996 12.712 2.629 1.00 0.00 C ATOM 1285 C SER A 88 -8.648 11.382 1.968 1.00 0.00 C ATOM 1286 O SER A 88 -7.586 11.235 1.363 1.00 0.00 O ATOM 1287 CB SER A 88 -9.137 13.802 1.565 1.00 0.00 C ATOM 1288 OG SER A 88 -10.159 13.481 0.639 1.00 0.00 O ATOM 0 H SER A 88 -7.090 12.603 3.497 1.00 0.00 H new ATOM 0 HA SER A 88 -9.946 12.600 3.152 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.362 14.755 2.044 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.191 13.925 1.039 1.00 0.00 H new ATOM 0 HG SER A 88 -10.230 14.194 -0.030 1.00 0.00 H new ATOM 1294 N HIS A 89 -9.552 10.414 2.088 1.00 0.00 N ATOM 1295 CA HIS A 89 -9.342 9.095 1.502 1.00 0.00 C ATOM 1296 C HIS A 89 -9.473 9.149 -0.018 1.00 0.00 C ATOM 1297 O HIS A 89 -10.545 9.438 -0.549 1.00 0.00 O ATOM 1298 CB HIS A 89 -10.344 8.093 2.076 1.00 0.00 C ATOM 1299 CG HIS A 89 -10.026 7.663 3.475 1.00 0.00 C ATOM 1300 ND1 HIS A 89 -9.853 6.344 3.836 1.00 0.00 N ATOM 1301 CD2 HIS A 89 -9.847 8.387 4.605 1.00 0.00 C ATOM 1302 CE1 HIS A 89 -9.584 6.274 5.127 1.00 0.00 C ATOM 1303 NE2 HIS A 89 -9.574 7.501 5.617 1.00 0.00 N ATOM 0 H HIS A 89 -10.436 10.519 2.585 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.332 8.770 1.751 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.340 8.536 2.058 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.375 7.214 1.433 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -9.922 5.546 3.204 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -9.908 9.462 4.694 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.403 5.368 5.687 1.00 0.00 H new ATOM 1311 N VAL A 90 -8.374 8.869 -0.712 1.00 0.00 N ATOM 1312 CA VAL A 90 -8.366 8.885 -2.170 1.00 0.00 C ATOM 1313 C VAL A 90 -9.515 8.059 -2.735 1.00 0.00 C ATOM 1314 O VAL A 90 -10.339 7.528 -1.989 1.00 0.00 O ATOM 1315 CB VAL A 90 -7.036 8.346 -2.729 1.00 0.00 C ATOM 1316 CG1 VAL A 90 -5.864 9.153 -2.192 1.00 0.00 C ATOM 1317 CG2 VAL A 90 -6.877 6.871 -2.394 1.00 0.00 C ATOM 0 H VAL A 90 -7.478 8.628 -0.288 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.486 9.924 -2.476 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.049 8.449 -3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.933 8.757 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.974 10.196 -2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.843 9.085 -1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.932 6.506 -2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.885 6.741 -1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.700 6.307 -2.833 1.00 0.00 H new ATOM 1327 N VAL A 91 -9.565 7.952 -4.059 1.00 0.00 N ATOM 1328 CA VAL A 91 -10.613 7.188 -4.725 1.00 0.00 C ATOM 1329 C VAL A 91 -10.445 5.693 -4.477 1.00 0.00 C ATOM 1330 O VAL A 91 -9.327 5.192 -4.374 1.00 0.00 O ATOM 1331 CB VAL A 91 -10.617 7.447 -6.244 1.00 0.00 C ATOM 1332 CG1 VAL A 91 -10.615 8.941 -6.530 1.00 0.00 C ATOM 1333 CG2 VAL A 91 -9.428 6.767 -6.903 1.00 0.00 C ATOM 0 H VAL A 91 -8.892 8.385 -4.691 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.562 7.519 -4.304 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.528 7.022 -6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.618 9.105 -7.608 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.503 9.397 -6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.723 9.393 -6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.447 6.960 -7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.504 7.160 -6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.480 5.693 -6.727 1.00 0.00 H new ATOM 1343 N GLY A 92 -11.567 4.985 -4.382 1.00 0.00 N ATOM 1344 CA GLY A 92 -11.523 3.554 -4.147 1.00 0.00 C ATOM 1345 C GLY A 92 -10.922 3.206 -2.800 1.00 0.00 C ATOM 1346 O GLY A 92 -10.399 2.107 -2.610 1.00 0.00 O ATOM 0 H GLY A 92 -12.505 5.377 -4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.533 3.148 -4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.941 3.077 -4.935 1.00 0.00 H new ATOM 1350 N SER A 93 -10.994 4.144 -1.861 1.00 0.00 N ATOM 1351 CA SER A 93 -10.447 3.933 -0.526 1.00 0.00 C ATOM 1352 C SER A 93 -11.542 4.037 0.532 1.00 0.00 C ATOM 1353 O SER A 93 -12.444 4.871 0.450 1.00 0.00 O ATOM 1354 CB SER A 93 -9.345 4.953 -0.236 1.00 0.00 C ATOM 1355 OG SER A 93 -8.498 4.506 0.808 1.00 0.00 O ATOM 0 H SER A 93 -11.426 5.058 -2.000 1.00 0.00 H new ATOM 0 HA SER A 93 -10.023 2.930 -0.489 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.757 5.124 -1.138 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.792 5.908 0.038 1.00 0.00 H new ATOM 0 HG SER A 93 -7.962 3.749 0.493 1.00 0.00 H new ATOM 1361 N PRO A 94 -11.463 3.168 1.551 1.00 0.00 N ATOM 1362 CA PRO A 94 -10.395 2.170 1.659 1.00 0.00 C ATOM 1363 C PRO A 94 -10.517 1.074 0.606 1.00 0.00 C ATOM 1364 O PRO A 94 -11.604 0.812 0.090 1.00 0.00 O ATOM 1365 CB PRO A 94 -10.594 1.588 3.061 1.00 0.00 C ATOM 1366 CG PRO A 94 -12.037 1.808 3.362 1.00 0.00 C ATOM 1367 CD PRO A 94 -12.411 3.093 2.676 1.00 0.00 C ATOM 0 HA PRO A 94 -9.410 2.609 1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -10.341 0.528 3.089 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.957 2.087 3.791 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.643 0.979 2.996 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.206 1.876 4.437 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.445 3.078 2.330 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -12.311 3.949 3.344 1.00 0.00 H new ATOM 1375 N PHE A 95 -9.395 0.435 0.290 1.00 0.00 N ATOM 1376 CA PHE A 95 -9.377 -0.633 -0.702 1.00 0.00 C ATOM 1377 C PHE A 95 -9.535 -1.997 -0.037 1.00 0.00 C ATOM 1378 O PHE A 95 -9.175 -2.179 1.126 1.00 0.00 O ATOM 1379 CB PHE A 95 -8.073 -0.591 -1.502 1.00 0.00 C ATOM 1380 CG PHE A 95 -7.894 0.673 -2.293 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -7.271 1.775 -1.730 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -8.351 0.760 -3.598 1.00 0.00 C ATOM 1383 CE1 PHE A 95 -7.105 2.941 -2.455 1.00 0.00 C ATOM 1384 CE2 PHE A 95 -8.187 1.922 -4.328 1.00 0.00 C ATOM 1385 CZ PHE A 95 -7.564 3.014 -3.755 1.00 0.00 C ATOM 0 H PHE A 95 -8.487 0.639 0.707 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.217 -0.480 -1.379 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.232 -0.703 -0.817 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.046 -1.442 -2.182 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.911 1.723 -0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -8.841 -0.090 -4.050 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -6.617 3.793 -2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.545 1.976 -5.345 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.436 3.923 -4.323 1.00 0.00 H new ATOM 1395 N LYS A 96 -10.078 -2.953 -0.784 1.00 0.00 N ATOM 1396 CA LYS A 96 -10.285 -4.301 -0.269 1.00 0.00 C ATOM 1397 C LYS A 96 -9.632 -5.337 -1.179 1.00 0.00 C ATOM 1398 O LYS A 96 -9.828 -5.322 -2.394 1.00 0.00 O ATOM 1399 CB LYS A 96 -11.781 -4.594 -0.136 1.00 0.00 C ATOM 1400 CG LYS A 96 -12.553 -4.420 -1.432 1.00 0.00 C ATOM 1401 CD LYS A 96 -14.053 -4.414 -1.191 1.00 0.00 C ATOM 1402 CE LYS A 96 -14.629 -5.821 -1.226 1.00 0.00 C ATOM 1403 NZ LYS A 96 -16.057 -5.826 -1.649 1.00 0.00 N ATOM 0 H LYS A 96 -10.383 -2.819 -1.748 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.820 -4.363 0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.912 -5.616 0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.206 -3.935 0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.257 -3.487 -1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.297 -5.226 -2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.265 -3.957 -0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.542 -3.801 -1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.045 -6.435 -1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.541 -6.274 -0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.412 -6.803 -1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.619 -5.261 -0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.138 -5.417 -2.602 1.00 0.00 H new ATOM 1417 N VAL A 97 -8.857 -6.237 -0.583 1.00 0.00 N ATOM 1418 CA VAL A 97 -8.177 -7.282 -1.340 1.00 0.00 C ATOM 1419 C VAL A 97 -8.091 -8.575 -0.536 1.00 0.00 C ATOM 1420 O VAL A 97 -8.233 -8.568 0.687 1.00 0.00 O ATOM 1421 CB VAL A 97 -6.757 -6.848 -1.746 1.00 0.00 C ATOM 1422 CG1 VAL A 97 -6.808 -5.604 -2.620 1.00 0.00 C ATOM 1423 CG2 VAL A 97 -5.900 -6.607 -0.512 1.00 0.00 C ATOM 0 H VAL A 97 -8.684 -6.264 0.422 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.767 -7.455 -2.240 1.00 0.00 H new ATOM 0 HB VAL A 97 -6.302 -7.652 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.795 -5.312 -2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.384 -5.816 -3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.282 -4.791 -2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.900 -6.301 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.350 -5.822 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.836 -7.525 0.072 1.00 0.00 H new ATOM 1433 N ARG A 98 -7.857 -9.683 -1.231 1.00 0.00 N ATOM 1434 CA ARG A 98 -7.753 -10.984 -0.582 1.00 0.00 C ATOM 1435 C ARG A 98 -6.419 -11.650 -0.910 1.00 0.00 C ATOM 1436 O ARG A 98 -5.896 -11.504 -2.015 1.00 0.00 O ATOM 1437 CB ARG A 98 -8.907 -11.889 -1.018 1.00 0.00 C ATOM 1438 CG ARG A 98 -10.145 -11.759 -0.146 1.00 0.00 C ATOM 1439 CD ARG A 98 -11.359 -12.397 -0.803 1.00 0.00 C ATOM 1440 NE ARG A 98 -12.583 -12.152 -0.046 1.00 0.00 N ATOM 1441 CZ ARG A 98 -13.726 -12.791 -0.270 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -13.800 -13.710 -1.223 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -14.798 -12.512 0.461 1.00 0.00 N ATOM 0 H ARG A 98 -7.736 -9.706 -2.244 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.808 -10.830 0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.173 -11.654 -2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.570 -12.926 -1.004 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.962 -12.231 0.819 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.346 -10.705 0.047 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.473 -12.004 -1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -11.199 -13.471 -0.895 1.00 0.00 H new ATOM 0 HE ARG A 98 -12.559 -11.452 0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -12.978 -13.928 -1.786 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.679 -14.199 -1.393 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -14.745 -11.806 1.196 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -15.675 -13.003 0.288 1.00 0.00 H new ATOM 1457 N VAL A 99 -5.874 -12.380 0.058 1.00 0.00 N ATOM 1458 CA VAL A 99 -4.602 -13.068 -0.128 1.00 0.00 C ATOM 1459 C VAL A 99 -4.815 -14.555 -0.388 1.00 0.00 C ATOM 1460 O VAL A 99 -5.737 -15.165 0.151 1.00 0.00 O ATOM 1461 CB VAL A 99 -3.688 -12.899 1.100 1.00 0.00 C ATOM 1462 CG1 VAL A 99 -4.199 -13.732 2.266 1.00 0.00 C ATOM 1463 CG2 VAL A 99 -2.255 -13.274 0.753 1.00 0.00 C ATOM 0 H VAL A 99 -6.293 -12.510 0.979 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.121 -12.615 -0.995 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.703 -11.851 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.540 -13.599 3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.207 -13.410 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.217 -14.784 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.623 -13.149 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.220 -14.313 0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.894 -12.629 -0.048 1.00 0.00 H new ATOM 1473 N GLY A 100 -3.953 -15.134 -1.219 1.00 0.00 N ATOM 1474 CA GLY A 100 -4.064 -16.546 -1.536 1.00 0.00 C ATOM 1475 C GLY A 100 -4.967 -16.804 -2.726 1.00 0.00 C ATOM 1476 O GLY A 100 -6.117 -16.366 -2.746 1.00 0.00 O ATOM 0 H GLY A 100 -3.181 -14.651 -1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.072 -16.948 -1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.450 -17.081 -0.668 1.00 0.00 H new